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L-Proline, N-(2-chlorobenzoyl)-, pentadecyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(2-chlorobenzoyl)-, pentadecyl ester
SpectraBase Compound ID 7eZXpwkG6OM
InChI InChI=1S/C27H42ClNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-32-27(31)25-20-17-21-29(25)26(30)23-18-14-15-19-24(23)28/h14-15,18-19,25H,2-13,16-17,20-22H2,1H3
InChIKey OUOYCZOCVVXYBV-UHFFFAOYSA-N
Mol Weight 464.1 g/mol
Molecular Formula C27H42ClNO3
Exact Mass 463.285322 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G3YSp5m87HL
Name L-Proline, N-(2-chlorobenzoyl)-, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 463.285321913 u
Formula C27H42ClNO3
InChI InChI=1S/C27H42ClNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-32-27(31)25-20-17-21-29(25)26(30)23-18-14-15-19-24(23)28/h14-15,18-19,25H,2-13,16-17,20-22H2,1H3
InChIKey OUOYCZOCVVXYBV-UHFFFAOYSA-N
Molecular Weight 464.090 g/mol
SMILES C1(=C(C=CC=C1)C(N1CCCC1C(=O)OCCCCCCCCCCCCCCC)=O)Cl